Experimental and First-principle study of TmNiSb half-Heusler Alloy
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Видавництво Львівської політехніки
Lviv Polytechnic Publishing House
Lviv Polytechnic Publishing House
Abstract
The studied TmNiSb alloy crystallizes in the
MgAgAs structure type (half-Heusler phases) and according to
the results of DFT+U calculations revealed the presence of
bandgap (Eg = 359 meV). Spin magnetic moment of Tm atoms
equals 2.16 μB confirming its Tm3+ state. Calculated elastic
properties as well as Vickers hardness of TmNiSb alloy was
defined semi-empirically and equals 15.98 GPa.
Experimentally determined microhardness is within the range
of 2.90 – 4.06 GPa with the exception of TmNiSb phase.
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Citation
Experimental and First-principle study of TmNiSb half-Heusler Alloy / Zlata Rykavets, Diana Ryzhak, Lyubov Romaka, Sergiy Shvachko, Vitaliy Romaka // Litteris et Artibus : proceedings, 23–25 November, 2017. — Lviv : Lviv Polytechnic Publishing House, 2017. — P. 262–264. — (6th International academic conference «Mechanical engineering, materials science, transport 2017» (MEMST-2017)).